5-[[2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione

C24H20N2O4S — CID 10574754

IUPAC5-[[2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1ccccc1-c1nc(Cc2cc3cc(CC4SC(=O)NC4=O)ccc3o2)c(C)o1
InChIInChI=1S/C24H20N2O4S/c1-13-5-3-4-6-18(13)23-25-19(14(2)29-23)12-17-11-16-9-15(7-8-20(16)30-17)10-21-22(27)26-24(28)31-21/h3-9,11,21H,10,12H2,1-2H3,(H,26,27,28)
InChIKeyFWJHEIJICNRLKZ-UHFFFAOYSA-N
MW432.50 g/mol
LogP5.19
Rot. Bonds5

About 5-[[2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione

5-[[2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 10574754) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is 5-[[2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID10574754
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC Name5-[[2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1ccccc1-c1nc(Cc2cc3cc(CC4SC(=O)NC4=O)ccc3o2)c(C)o1
InChIInChI=1S/C24H20N2O4S/c1-13-5-3-4-6-18(13)23-25-19(14(2)29-23)12-17-11-16-9-15(7-8-20(16)30-17)10-21-22(27)26-24(28)31-21/h3-9,11,21H,10,12H2,1-2H3,(H,26,27,28)
InChIKeyFWJHEIJICNRLKZ-UHFFFAOYSA-N
XLogP5.19
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.50
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione (CID 10574754) is 5-[[2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione is Cc1ccccc1-c1nc(Cc2cc3cc(CC4SC(=O)NC4=O)ccc3o2)c(C)o1.
What is the InChIKey of 5-[[2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is FWJHEIJICNRLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S/c1-13-5-3-4-6-18(13)23-25-19(14(2)29-23)12-17-11-16-9-15(7-8-20(16)30-17)10-21-22(27)26-24(28)31-21/h3-9,11,21H,10,12H2,1-2H3,(H,26,27,28).
What are the key properties of 5-[[2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 432.50 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10574754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).